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CHEBI:66955 - olivetolic acid

ChEBI IDCHEBI:66955
ChEBI Nameolivetolic acid
Stars
DefinitionA member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively.
Last Modified6 September 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCCCCCc1cc(O)cc(O)c1C(=O)O
InChIInChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
InChIKeySXFKFRRXJUJGSS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
olivetolic acid (CHEBI:66955) has functional parent olivetol (CHEBI:66960)
olivetolic acid (CHEBI:66955) has role metabolite (CHEBI:25212)
olivetolic acid (CHEBI:66955) is a benzoic acids (CHEBI:22723)
olivetolic acid (CHEBI:66955) is a monocarboxylic acid (CHEBI:25384)
olivetolic acid (CHEBI:66955) is a polyketide (CHEBI:26188)
olivetolic acid (CHEBI:66955) is a resorcinols (CHEBI:33572)
olivetolic acid (CHEBI:66955) is conjugate acid of olivetolate (CHEBI:66950)
Incoming Relation(s)
cannabidiolic acid (CHEBI:3359) has functional parent olivetolic acid (CHEBI:66955)
cannabigerolic acid (CHEBI:67081) has functional parent olivetolic acid (CHEBI:66955)
cannabinerolic acid (CHEBI:67080) has functional parent olivetolic acid (CHEBI:66955)
cytonic acid A (CHEBI:65717) has functional parent olivetolic acid (CHEBI:66955)
cytonic acid B (CHEBI:65718) has functional parent olivetolic acid (CHEBI:66955)
olivetolate (CHEBI:66950) is conjugate base of olivetolic acid (CHEBI:66955)
IUPAC Name 
2,4-dihydroxy-6-pentylbenzoic acid
Synonyms  Source
olivetolcarboxylic acidChemIDplus
allazetolcarboxylic acidChemIDplus
6-pentyl-beta-resorcylic acidChEBI
Manual XrefsDatabases
CPD-7165MetaCyc
Registry NumbersSources
Reaxys:2807862Reaxys
CAS:491-72-5ChemIDplus
Citations